LMPK12120602
  LIPID_MAPS_STRUCTURE_DATABASE

 21 22  0  0  0  0  0  0  0  0999 V2000
    5.7002    7.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7002    6.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4023    6.3198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1043    6.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1043    7.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4023    7.9411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8045    6.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5047    6.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2049    6.3209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9051    6.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5874    6.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    6.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    7.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5874    7.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9051    7.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8045    5.5125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.9401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9698    7.9173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8751    7.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5874    5.5229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4929    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
  1 17  1  0  0  0  0
 13 18  1  0  0  0  0
 11 20  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120602

> <COMMON_NAME>
Loureirin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H18O4

> <MASS>
286.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RSAIVLRELNGZEY-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C17H18O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-5,7-9,11,18H,6,10H2,1-2H3

> <SMILES>
C1(O)C=CC(C(=O)CCC2C=CC(OC)=CC=2OC)=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5319081

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$